1-[7,7-bis[di(propan-2-yloxy)phosphoryl]heptylsulfanyl]-4-nitro-benzene

Systemtic Name: 1-[7,7-bis[di(propan-2-yloxy)phosphoryl]heptylsulfanyl]-4-nitro-benzene Openeye Name: 1-[7,7-bis(diisopropoxyphosphoryl)heptylsulfanyl]-4-nitro-benzene CAS Name: 1-[7,7-bis[di(propan-2-yloxy)phosphoryl]heptylthio]-4-nitrobenzene IUPAC Name: 1-[7,7-bis[di(propan-2-yloxy)phosphoryl]heptylsulfanyl]-4-nitrobenzene Traditional Name: 1-[7,7-bis(diisopropoxyphosphoryl)heptylthio]-4-nitro-benzene Formula: C25H45NO8P2S MolecularWeight: 581.639222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C(CCCCCCSC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(C(CCCCCCSC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)OC(C)C

InChI

InChI=1S/C25H45NO8P2S/c1-19(2)31-35(29,32-20(3)4)25(36(30,33-21(5)6)34-22(7)8)13-11-9-10-12-18-37-24-16-14-23(15-17-24)26(27)28/h14-17,19-22,25H,9-13,18H2,1-8H3